SCHEMBL7513617

SCHEMBL7513617

CCN(CC)CCC(=O)Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
PARP3 Q9Y6F1 1/20 0.37
PTGER1 P34995 10/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MCHR1 Q99705 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
CETP P11597 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7511583 0.91 GAA (0.38) GAAPARP3PTGER1MCHR1
SCHEMBL7515830 0.89 GAA (0.36) GAAPTGER1CETP
SCHEMBL7506976 0.88 PTGER1 (0.37) GAAPTGER1ABHD6CETP
SCHEMBL7209116 0.86 GAA (0.38) GAAPTGER1ABHD6CETP
SCHEMBL7516134 0.86 PTGER1 (0.35) GAAPTGER1PPARG
Hydrochloric Acid SCHEMBL7144634 0.86 PTGER1 (0.37) PTGER1PPARGPPARDPPARAMCHR1
SCHEMBL8058096 0.84 CETP (0.38) GAAPTGER1ABHD6CETP
Hydrochloric Acid SCHEMBL7146578 0.83 PTGER1 (0.37) PTGER1MCHR1ABHD6
SCHEMBL7516138 0.83 PTGER1 (0.36) GAAPTGER1CETP
SCHEMBL7982398 0.83 UTS2R (0.35) GAAPTGER1CETP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051173-A4 DERIVATIVES OF 1,3,4-OXADIAZOLONE BRISTOL MYERS SQUIBB CO (US) 2002-07-31 EP claimed
EP-1051173-A1 DERIVATIVES OF 1,3,4-OXADIAZOLONE Bristol-Myers Squibb Company (US) 2000-11-15 EP claimed
US-6034113-A ANTIISCHEMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-07 US claimed
WO-1999038510-A1 DERIVATIVES OF 1,3,4-OXADIAZOLONE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-08-05 WO claimed